ACD/Curve Manager

Version 6.0 to 7.0

Processing and Analysis Features

• Smooth analytical curves according to the Fast Fourier Transform (FFT) or Savitsky-Golay smoothing algorithms. Preview the results as you change the smoothing parameters.

Interactive Smoothing of an X-Ray Diffraction Curve with Initial Data in Red and the Smoothing Results in Black Click image to magnify

• Adjust the data spacing (step size along the spectral axis) by linear or spline interpolation. This function is very useful in standardizing the apparent resolution of a spectrum to that of a lower or higher resolution instrument, or to produce uniformly-spaced data sets.
• Model the shape of a selected analytical region according to a Peak Fitting toolset using a modernized Levenberg-Marquardt algorithm with either Gauss, Lorentz, Gauss+Lorentz, Pearson VII, or Lognormal functions.

Curve Fitting of a Selected X-Ray Diffraction Region Click image to magnify

General Features

• Process a group of curves as one with the group treatment. Group treatment allows you to use the transform, derivative, region cut-off, smoothing, and subtraction operations.
• Organize the curve-window display by docking common window elements to the sides, permitting an easy review of the spectrum parameters or user data information along-side the analytical curve.

Curve Processor Window with Document Tree Structure, User Data, and Parameters Docked on the Sides Click image to magnify

• Review and sort the spectral-data-point entries and corresponding response values in the Table of Data. The table can be sorted according to the x, y, or index column. Pointing to a cell interactively highlights the corresponding point on the spectrum.
• Export the LogD pH and Solubility profiles from ACD/LogD Sol Suite (or its component modules) to ACD/Curve Manager.

The Predicted LogD Curve (left) and Its Transfer to the ACD/Curve Manager Database (right) Click images to magnify

• Search an ACD/Labs database by a structure and its possible tautomeric forms. The program automatically detects whether a molecule may have another possible tautomeric form and lets you decide which form(s) to search for.
• Hide unused buttons to reduce the interface complexity with the new Customizable toolbar.

Because ACD/Labs software is highly integrated, new features in connected modules may also be relevant. In particular, you may want to review the What's New documents for ACD/SpecDB and ACD/ChemSketch.